COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK334407
Chemical Name: (4R,7S)-3-hydroxy-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Smiles: COc1cc(cc(c1O)[N+](=O)[O-])[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2

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Molecular Weight: 454.46
Empirical Formula: C21H18N4O6S

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 2.934
Rotatable bonds: 3
H-donors: 4
H-acceptors: 6
PSA: 181
Number of rings: 5

     

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